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Picolinyl 20-methylheneicosanoate

View entire compound with spectra: 1 NMR

Picolinyl 20-methylheneicosanoate
SpectraBase Compound ID DB3GrTMA0Qf
InChI InChI=1S/C28H49NO2/c1-26(2)20-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-22-28(30)31-25-27-21-19-23-29-24-27/h19,21,23-24,26H,3-18,20,22,25H2,1-2H3
InChIKey LRYUMFVSXCEAIW-UHFFFAOYSA-N
Mol Weight 431.7 g/mol
Molecular Formula C28H49NO2
Exact Mass 431.37633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuRcxtzYlJH
Name Picolinyl 20-methylheneicosanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.376329820 u
Formula C28H49NO2
InChI InChI=1S/C28H49NO2/c1-26(2)20-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-22-28(30)31-25-27-21-19-23-29-24-27/h19,21,23-24,26H,3-18,20,22,25H2,1-2H3
InChIKey LRYUMFVSXCEAIW-UHFFFAOYSA-N
Molecular Weight 431.705 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCCCCCCCCCC(C)C)=O